N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide

C18H22FN3OS — CID 119319611

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCNCC1
InChIInChI=1S/C18H22FN3OS/c1-11(21-17(23)13-7-9-20-10-8-13)16-12(2)22-18(24-16)14-3-5-15(19)6-4-14/h3-6,11,13,20H,7-10H2,1-2H3,(H,21,23)
InChIKeySWYVWJNFRBNLGX-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.43
Rot. Bonds4

About N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide (PubChem CID 119319611) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
PubChem CID119319611
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCNCC1
InChIInChI=1S/C18H22FN3OS/c1-11(21-17(23)13-7-9-20-10-8-13)16-12(2)22-18(24-16)14-3-5-15(19)6-4-14/h3-6,11,13,20H,7-10H2,1-2H3,(H,21,23)
InChIKeySWYVWJNFRBNLGX-UHFFFAOYSA-N
XLogP3.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847
(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633300
3-amino-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779757
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631267
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120631268
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate
CID 75467712
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide (CID 119319611) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(C)NC(=O)C1CCNCC1.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is SWYVWJNFRBNLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-11(21-17(23)13-7-9-20-10-8-13)16-12(2)22-18(24-16)14-3-5-15(19)6-4-14/h3-6,11,13,20H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119319611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).